Molecule

ID:23920

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈Cl₂N₂
Molecular Mass
261.19072
Exact Mass
260.08470395
Charge
0
InChI
InChI=1S/C12H16N2.2ClH/c1-3-7-12(13,8-4-2)11-5-9-14-10-6-11;;/h3-6,9-10H,1-2,7-8,13H2;2*1H
InChIKey
INEAAMDLJWDBED-UHFFFAOYSA-N
Canonic Smiles
C=CCC(c1ccncc1)(CC=C)N.Cl.Cl
Isomeric Smiles
C(c1ccncc1)(N)(CC=C)CC=C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1042731
LogD (pH = 7.4)
-0.3608975
Log P
1.9046997
Molar Refractivity
59.7697
Polarizability
23.418251
Polar Surface Area
38.91
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation